CID 167729653

6-fluoro-5-methoxypyridine-2-sulfonyl fluoride

Structural Information

Molecular Formula
C6H5F2NO3S
SMILES
COC1=C(N=C(C=C1)S(=O)(=O)F)F
InChI
InChI=1S/C6H5F2NO3S/c1-12-4-2-3-5(9-6(4)7)13(8,10)11/h2-3H,1H3
InChIKey
NQTWIMBFQMMTIE-UHFFFAOYSA-N
Compound name
6-fluoro-5-methoxypyridine-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.99582 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.00310 134.5
[M+Na]+ 231.98504 145.8
[M-H]- 207.98854 135.3
[M+NH4]+ 227.02964 152.9
[M+K]+ 247.95898 143.3
[M+H-H2O]+ 191.99308 127.0
[M+HCOO]- 253.99402 150.8
[M+CH3COO]- 268.00967 181.3
[M+Na-2H]- 229.97049 139.1
[M]+ 208.99527 136.8
[M]- 208.99637 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.